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4-Bromo-N-(diethyl-carbamothio-yl)-benzamide.

作者信息

Binzet Gün, Flörke Ulrich, Külcü Nevzat, Arslan Hakan

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2009 Jan 31;65(Pt 2):o427-8. doi: 10.1107/S1600536809003183.

Abstract

The synthesis of the title compound, C(12)H(15)BrN(2)OS, involves the reaction of 4-bromo-benzoyl chloride with potassium thio-cyanate in dry acetone, followed by condensation of 4-bromo-benzoyl isothio-cyanate with diethyl-amine. The carbonyl and thio-carbonyl bond lengths indicate that these correspond to double bonds. The short C-N bond lengths reveal the effects of resonance in this part of the mol-ecule. The conformation of the mol-ecule with respect to the thio-carbonyl and carbonyl units is twisted, with torsion angles of -5.7 (3) and 87.2 (2)°. The N atom of the diethyl-amine group is sp(2)-hybridized: the sum of the angles around the N atom is 359.97 (14)°. The two diethyl groups are twisted in + and - anti-periplanar conformations with angles of -179.89 and 179.92°. In the crystal structure, the mol-ecules form infinite chains via an inter-molecular N-H⋯O inter-action.

摘要
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/fde1/2968358/02b29d0c5887/e-65-0o427-fig1.jpg

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